CID 22833307

1-propene, tetramer

Structural Information

Molecular Formula
C12H18
SMILES
C/C=C/C/C=C/C/C=C/CC=C
InChI
InChI=1S/C12H18/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4,6-7,9-10,12H,1,5,8,11H2,2H3/b6-4+,9-7+,12-10+
InChIKey
RCRMTWBZRLYXQC-FNCTZUPOSA-N
Compound name
(4E,7E,10E)-dodeca-1,4,7,10-tetraene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

162.14085 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.14813 139.8
[M+Na]+ 185.13007 146.0
[M-H]- 161.13357 139.3
[M+NH4]+ 180.17467 160.9
[M+K]+ 201.10401 142.0
[M+H-H2O]+ 145.13811 135.1
[M+HCOO]- 207.13905 162.5
[M+CH3COO]- 221.15470 179.9
[M+Na-2H]- 183.11552 144.0
[M]+ 162.14030 140.4
[M]- 162.14140 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.